SCHEMBL3702471

SCHEMBL3702471

COc1ccc2[nH]cc(CCNC(=O)CC3C(=O)N(CCc4ccc(Cl)cc4Cl)CC(=O)N3Cc3ccncc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.49
ACHE P22303 4/20 0.49
MTNR1A P48039 5/20 0.45
MTNR1B P49286 4/20 0.45
ALDH1A1 P00352 1/20 0.44
PTGS2 P35354 1/20 0.44
SNCA P37840 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5955979 0.93 BCHE (0.49) BCHEACHEMTNR1AMTNR1BALDH1A1
SCHEMBL3698678 0.90 BCHE (0.46) BCHEACHESNCA
SCHEMBL3696305 0.89 MTNR1A (0.46) BCHEACHEMTNR1AMTNR1BALDH1A1
SCHEMBL3696391 0.88 KMT2A (0.46) ALDH1A1MEN1KMT2A
SCHEMBL5956062 0.87 ACHE (0.44) BCHEACHEMTNR1AMTNR1BALDH1A1
SCHEMBL29411284 0.87 ACHE (0.44) BCHEACHEMTNR1AMTNR1BALDH1A1
SCHEMBL5956810 0.86 TAAR1 (0.48) ACHEALDH1A1KMT2A
SCHEMBL9099986 0.84 BCHE (0.50) BCHEACHEMTNR1AMTNR1BALDH1A1
SCHEMBL3706880 0.83 APAF1 (0.46) MTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL3696929 0.83 APAF1 (0.44) ACHEALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
EP-2460798-A2 APAF-1 INHIBITOR COMPOUNDS Laboratorios SALVAT, S.A. (ES) 2012-06-06 EP disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS APAF1, API5, AIFM1 BCHE 4225/4885ACHE 3951/4885MTNR1A 3445/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.